methyl 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanoate

C13H19NO3 — CID 63261414

IUPACmethyl 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanoate
SMILESCOC(=O)C(C)NC(CO)Cc1ccccc1
InChIInChI=1S/C13H19NO3/c1-10(13(16)17-2)14-12(9-15)8-11-6-4-3-5-7-11/h3-7,10,12,14-15H,8-9H2,1-2H3
InChIKeyKHBUOYUWBYHRBQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.74
Rot. Bonds6

About methyl 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanoate

methyl 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanoate (PubChem CID 63261414) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanoate
PubChem CID63261414
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanoate
SMILESCOC(=O)C(C)NC(CO)Cc1ccccc1
InChIInChI=1S/C13H19NO3/c1-10(13(16)17-2)14-12(9-15)8-11-6-4-3-5-7-11/h3-7,10,12,14-15H,8-9H2,1-2H3
InChIKeyKHBUOYUWBYHRBQ-UHFFFAOYSA-N
XLogP0.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(1-phenylbutan-2-ylamino)propanoate
CID 79008142
(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol
CID 102613770
methyl (2R,3R)-2,3-dimethyl-4-phenylbutanoate
CID 170849387
methyl 2-methyl-3-phenylpropanoate
CID 11105919
methyl 2-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119291012
2-(1-phenylpentan-2-ylamino)propanoic acid
CID 122035581
(2S)-2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 10988719
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methoxyacetamide
CID 101173549
(2R)-2-[(1-methoxy-3-phenylpropan-2-yl)amino]-3-phenylpropanoic acid
CID 122037947
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 55168250
(2R)-2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 79013366

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanoate?
The IUPAC name of methyl 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanoate (CID 63261414) is methyl 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanoate?
The canonical SMILES for methyl 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanoate is COC(=O)C(C)NC(CO)Cc1ccccc1.
What is the InChIKey of methyl 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanoate?
The InChIKey is KHBUOYUWBYHRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(13(16)17-2)14-12(9-15)8-11-6-4-3-5-7-11/h3-7,10,12,14-15H,8-9H2,1-2H3.
What are the key properties of methyl 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanoate?
methyl 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanoate has a molecular weight of 237.30 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanoate is sourced from PubChem (CID 63261414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).